N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C12H11Cl2N3O2S — CID 110718005

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESNc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H11Cl2N3O2S/c13-7-1-2-10(9(14)3-7)19-5-11(18)16-4-8-6-20-12(15)17-8/h1-3,6H,4-5H2,(H2,15,17)(H,16,18)
InChIKeyHPXREGIXGZLSLB-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.73
Rot. Bonds5

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 110718005) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID110718005
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESNc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H11Cl2N3O2S/c13-7-1-2-10(9(14)3-7)19-5-11(18)16-4-8-6-20-12(15)17-8/h1-3,6H,4-5H2,(H2,15,17)(H,16,18)
InChIKeyHPXREGIXGZLSLB-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
2-(2,4-dichlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 30608039
2-(2,4-dichlorophenoxy)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569546
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 54773872
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71808607
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 27370168
2-(2,4-dichlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)acetamide
CID 110661578
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 110718005) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is Nc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is HPXREGIXGZLSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c13-7-1-2-10(9(14)3-7)19-5-11(18)16-4-8-6-20-12(15)17-8/h1-3,6H,4-5H2,(H2,15,17)(H,16,18).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 332.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 110718005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).